TopER: Topological Embeddings in Graph Representation Learning
About
Graph embeddings play a critical role in graph representation learning, allowing machine learning models to explore and interpret graph-structured data. However, existing methods often rely on opaque, high-dimensional embeddings, limiting interpretability and practical visualization. In this work, we introduce Topological Evolution Rate (TopER), a novel, low-dimensional embedding approach grounded in topological data analysis. TopER simplifies a key topological approach, Persistent Homology, by calculating the evolution rate of graph substructures, resulting in intuitive and interpretable visualizations of graph data. This approach not only enhances the exploration of graph datasets but also delivers competitive performance in graph clustering and classification tasks. Our TopER-based models achieve or surpass state-of-the-art results across molecular, biological, and social network datasets in tasks such as classification, clustering, and visualization.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Graph Distribution Classification and Clustering | ER, RP, SBM, RG graph distributions | Accuracy75.8 | 31 | |
| Graph classification (trajectory- vs cluster-like) | Single-cell graphs All Graphs (full set) | Accuracy62.4 | 28 | |
| Graph classification (trajectory- vs cluster-like) | Single-cell graphs Gold subset | Accuracy67.2 | 27 | |
| Graph Parameter Classification | Random Partition (RP) | Accuracy87 | 8 | |
| Graph Distribution Classification | Random Graph Models ER, RP, RG, SBM | Accuracy70 | 8 | |
| Graph Parameter Classification | Erdős-Rényi (ER) random graph model | Accuracy89 | 8 | |
| Graph Parameter Classification | Random Geometric (RG) Graph | Accuracy80 | 8 | |
| Graph Parameter Classification | Stochastic block model (SBM) | Accuracy60 | 8 | |
| Binary Graph Classification | All 169 Graphs (5-fold stratified CV) | Accuracy (Test)62.4 | 6 | |
| Binary Graph Classification | Gold 87 Graphs (5-fold stratified CV) | Test Accuracy67.2 | 5 |